CID 177105386

C65H55N4OPt-3 — CID 177105386

About CID 177105386

CID 177105386 (PubChem CID 177105386) has the molecular formula C65H55N4OPt-3 and a molecular weight of 1110.30 g/mol.

Molecular Properties

• Compound Name: CID 177105386
• PubChem CID: 177105386
• Molecular Formula: C65H55N4OPt-3
• Molecular Weight: 1110.30 g/mol
• Exact Mass: 1109.45
• IUPAC Name: —
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3[c-]c(N4[CH-]n5c6c(C)cccc6c6cc(C)ccc6c6ccccc6c6cccc4c65)cc(C(C)(C)C)c3)[c-]c1n2-c1cc(C([2H])([2H])[2H])c(-c2ccc(C(C)(C)C)cc2)cn1.[Pt]
• InChI: InChI=1S/C65H55N4O.Pt/c1-40-24-30-51-49-17-10-11-18-50(49)54-21-15-23-59-63(54)68(62-41(2)16-14-20-55(62)56(51)32-40)39-67(59)46-34-45(65(7,8)9)35-48(36-46)70-47-29-31-53-52-19-12-13-22-58(52)69(60(53)37-47)61-33-42(3)57(38-66-61)43-25-27-44(28-26-43)64(4,5)6;/h10-35,38-39H,1-9H3;/q-3;/i3D3,12D,13D,19D,22D
• InChIKey: FKPFJDLGDRNYFS-LQLLSZRFSA-N
• XLogP: 17.41
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1110.30
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 177105386?

The IUPAC name of CID 177105386 (CID 177105386) is not available.

What is the SMILES notation for CID 177105386?

The canonical SMILES for CID 177105386 is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3[c-]c(N4[CH-]n5c6c(C)cccc6c6cc(C)ccc6c6ccccc6c6cccc4c65)cc(C(C)(C)C)c3)[c-]c1n2-c1cc(C([2H])([2H])[2H])c(-c2ccc(C(C)(C)C)cc2)cn1.[Pt].

What is the InChIKey of CID 177105386?

The InChIKey is FKPFJDLGDRNYFS-LQLLSZRFSA-N. The full InChI is InChI=1S/C65H55N4O.Pt/c1-40-24-30-51-49-17-10-11-18-50(49)54-21-15-23-59-63(54)68(62-41(2)16-14-20-55(62)56(51)32-40)39-67(59)46-34-45(65(7,8)9)35-48(36-46)70-47-29-31-53-52-19-12-13-22-58(52)69(60(53)37-47)61-33-42(3)57(38-66-61)43-25-27-44(28-26-43)64(4,5)6;/h10-35,38-39H,1-9H3;/q-3;/i3D3,12D,13D,19D,22D;.

What are the key properties of CID 177105386?

CID 177105386 has a molecular weight of 1110.30 g/mol, XLogP of 17.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 177105386 is sourced from PubChem (CID 177105386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).